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1912-39-6 | 1H-Indole-3-acetic acid, 2-bromo-
CAS No: 1912-39-6 Catalog No: AG002F4C MDL No:
Product Description
Catalog Number:
AG002F4C
Chemical Name:
1H-Indole-3-acetic acid, 2-bromo-
CAS Number:
1912-39-6
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
IUPAC Name:
2-(2-bromo-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C10H8BrNO2/c11-10-7(5-9(13)14)6-3-1-2-4-8(6)12-10/h1-4,12H,5H2,(H,13,14)
InChI Key:
LAADSTQETUDBPC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(Br)[nH]c2c1cccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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